SCHEMBL14848587

SCHEMBL14848587

O=C1C(c2c(O)ccc3cc(O)ccc23)=C(O)C1c1c(O)ccc2cc(O)ccc12

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 9/20 0.38
▸ HSD17B2 P37059 9/20 0.38
▸ CYP1A2 P05177 5/20 0.38
▸ CYP3A4 P08684 5/20 0.38
▸ CYP2D6 P10635 5/20 0.38
▸ CYP2C9 P11712 5/20 0.38
▸ CYP2C19 P33261 5/20 0.38
▸ CYP2B6 P20813 4/20 0.38
▸ ESR1 P03372 7/20 0.38
▸ ESR2 Q92731 7/20 0.38
▸ MPL P40238 1/20 0.32
▸ SHBG P04278 1/20 0.31
▸ TLR8 Q9NR97 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8777376 0.73 HSD17B1 (0.56) HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6
SCHEMBL17971632 0.72 MAOA (0.41) CYP1A2CYP3A4
SCHEMBL14871917 0.71 HSD17B1 (0.42) HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6
SCHEMBL11964695 0.69 NQO1 (0.35) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL18068456 0.65 ESR1 (0.56) HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6
SCHEMBL10581021 0.64 ESR1 (0.78) HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6
SCHEMBL9644028 0.64 HSP90AB1 (0.42) CYP1A2CYP2D6CYP2C9CYP2C19ESR1
SCHEMBL17971633 0.64 NQO1 (0.42) CYP3A4MPL
SCHEMBL17971678 0.63 PIM1 (0.41) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL31633538 0.63 CYP1A2 (0.43) HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130087741-A1 INK HAVING POLYVINYL ACETAL BINDER KODAK PHILIPPINES LTD. 2013-04-11 — — US disclosed
US-20130089713-A1 ARTICLE PRINTED WITH INFRARED DYE KODAK REALTY INC. 2013-04-11 — — US disclosed
US-20130087741-A1 INK HAVING POLYVINYL ACETAL BINDER KODAK PHILIPPINES LTD. 2013-04-11 — — US disclosed
US-20130087740-A1 INFRARED FLUORESCENT COMPOSITION HAVING POLYVINYL ACETAL BINDER FPC INC. 2013-04-11 — — US disclosed
US-20130089713-A1 ARTICLE PRINTED WITH INFRARED DYE KODAK REALTY INC. 2013-04-11 — — US disclosed
US-20130087740-A1 INFRARED FLUORESCENT COMPOSITION HAVING POLYVINYL ACETAL BINDER FPC INC. 2013-04-11 — — US disclosed
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